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Self-driving laboratories for chemistry and materials science
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …
Through the automation of experimental workflows, along with autonomous experimental …
[HTML][HTML] Machine learning for advanced energy materials
The screening of advanced materials coupled with the modeling of their quantitative
structural-activity relationships has recently become one of the hot and trending topics in …
structural-activity relationships has recently become one of the hot and trending topics in …
Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities
The execution and analysis of complex experiments are challenged by the vast
dimensionality of the underlying parameter spaces. Although an increase in data-acquisition …
dimensionality of the underlying parameter spaces. Although an increase in data-acquisition …
Bayesian optimization algorithms for accelerator physics
Accelerator physics relies on numerical algorithms to solve optimization problems in online
accelerator control and tasks such as experimental design and model calibration in …
accelerator control and tasks such as experimental design and model calibration in …
Autonomous discovery of emergent morphologies in directed self-assembly of block copolymer blends
The directed self-assembly (DSA) of block copolymers (BCPs) is a powerful approach to
fabricate complex nanostructure arrays, but finding morphologies that emerge with changes …
fabricate complex nanostructure arrays, but finding morphologies that emerge with changes …
Data-augmented modeling for yield strength of refractory high entropy alloys: A Bayesian approach
Refractory high entropy alloys (RHEAs) have gained significant attention in recent years as
potential replacements for Ni-based superalloys in gas turbine applications. Improving their …
potential replacements for Ni-based superalloys in gas turbine applications. Improving their …
Exploring chemistry and additive manufacturing design spaces: a perspective on computationally-guided design of printable alloys
Additive manufacturing (AM), especially Laser Powder-Bed Fusion (L-PBF), provides alloys
with unique properties, but faces printability challenges like porosity and cracks. To address …
with unique properties, but faces printability challenges like porosity and cracks. To address …
Machine learning for analyses and automation of structural characterization of polymer materials
Structural characterization of polymer materials is a major step in the process of creating
complex materials design-structural-property relationships. With growing interests in artificial …
complex materials design-structural-property relationships. With growing interests in artificial …
When not to use machine learning: A perspective on potential and limitations
MR Carbone - MRS Bulletin, 2022 - Springer
The unparalleled success of artificial intelligence (AI) in the technology sector has catalyzed
an enormous amount of research in the scientific community. It has proven to be a powerful …
an enormous amount of research in the scientific community. It has proven to be a powerful …
Accelerating materials discovery for polymer solar cells: data-driven insights enabled by natural language processing
We present a simulation of various active learning strategies for the discovery of polymer
solar cell donor/acceptor pairs using data extracted from the literature spanning∼ 20 years …
solar cell donor/acceptor pairs using data extracted from the literature spanning∼ 20 years …